John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AcAIc5ei65x SpectraBase Spectrum ID=3lyYJQg8OVb

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3-OXO-5-BETA-CHOLANE-24-HYDROXY-ACID
SpectraBase Compound ID AcAIc5ei65x
InChI InChI=1S/C25H40O4/c1-15(4-9-22(27)23(28)29)19-7-8-20-18-6-5-16-14-17(26)10-12-24(16,2)21(18)11-13-25(19,20)3/h15-16,18-22,27H,4-14H2,1-3H3,(H,28,29)/t15-,16-,18+,19-,20+,21+,22?,24+,25-/m1/s1
InChIKey AZWWPOMUDMWVPK-GQRQSBITSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lyYJQg8OVb
Name 3-OXO-5-BETA-CHOLANE-24-HYDROXY-ACID
Compound Number 9
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-15(4-9-22(27)23(28)29)19-7-8-20-18-6-5-16-14-17(26)10-12-24(16,2)21(18)11-13-25(19,20)3/h15-16,18-22,27H,4-14H2,1-3H3,(H,28,29)/t15-,16-,18+,19-,20+,21+,22?,24+,25-/m1/s1
InChIKey AZWWPOMUDMWVPK-GQRQSBITSA-N
Literature Reference Author L.NAHAR,A.B.TURNER,S.D.SARKER
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,88(2009)
Literature Reference DOI 10.1590/s0103-50532009000100015
Molecular Weight 404.590 g/mol
Source File Reference UWBT6300
SpectraBase Batch ID JbdjUxNQCjq